MolNFT v1 · #142967 · protein
Crystal structure of chorismate mutase from helicobacter pylori in complex with prephenate
6AL9: “Crystal structure of chorismate mutase from helicobacter pylori in complex with prephenate”. X-ray diffraction, 3 ligands (PRE, PYR, PHB), 2 pockets (best druggability 0.74). MolNFT v1 #142967 on GenesisL1: 3D structure, binding…
- PDB
- 6AL9
- Type
- protein
- Length
- 181 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate mutase
- UniProt
- O25064
- Ligands
- PRE, PYR, PHB
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chorismate mutase | protein | 90 | 77% helix, 0% strand | O25064 |
| B | Chorismate mutase | protein | 91 | 78% helix, 0% strand | O25064 |
Ligands and binding sites
- PRE · Prephenic acid · ligand · chains A, B
- PYR · Pyruvic acid · ligand · chains A, B
- PHB · P-hydroxybenzoic acid · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 151 | 0.74 | 0.92 | 22 | PRE |
| 2 | 142 | 0.73 | 0.92 | 21 | PYR, PHB |
Interfaces
1 interface between chains.
- A–B · 2490 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 6AL9 · Crystal structure of chorismate mutase from Helicobacter pylori in complex with prephenate · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O25064
- Elsewhere: RCSB PDB 6AL9 · PDBe 6AL9 · UniProt O25064
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